SCHEMBL26039239

SCHEMBL26039239

Cc1ccc(Sc2ccc3[nH]c(C)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8502483 0.81 MAPT (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12540 0.80 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL24012942 0.75 MEN1 (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11839896 0.75 MEN1 (0.37) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1108962 0.74 KMT2A (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL27413637 0.74 TYMS (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15477598 0.74 ALDH1A1 (0.58) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL12930776 0.73 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL26041554 0.73 QPCT (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14136080 0.73 ACHE (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230204-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF Korea University Research and Business Foundation (KR) 2023-08-23 EP disclosed